SCHEMBL14721908

SCHEMBL14721908

COCc1ccc(=O)n(Cc2ccc(C=C3CCN(C4CCC4)CC3)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.36
CYP2D6 P10635 2/20 0.36
MCHR1 Q99705 1/20 0.33
SRD5A2 P31213 1/20 0.33
ACHE P22303 2/20 0.32
IDH1 O75874 1/20 0.32
P2RX3 P56373 2/20 0.31
L3MBTL3 Q96JM7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14731087 0.84 KDM4E (0.42) HRH3MCHR1
SCHEMBL14723266 0.81 SRD5A1 (0.40) MCHR1SRD5A2IDH1
SCHEMBL14722538 0.80 POLB (0.36) HRH3SRD5A2L3MBTL3L3MBTL1POLB
SCHEMBL14722283 0.77 LMNA (0.41) ACHE
SCHEMBL14720643 0.76 OPRM1 (0.41) HRH3MCHR1L3MBTL3L3MBTL1
SCHEMBL14722373 0.75 HRH3 (0.36) HRH3CYP2D6SRD5A2
SCHEMBL14720575 0.75 L3MBTL3 (0.51) HRH3CYP2D6L3MBTL3L3MBTL1
SCHEMBL14721926 0.75 POLB (0.39) SRD5A2POLB
SCHEMBL14720875 0.75 FKBP1A (0.38) HRH3SRD5A2POLB
SCHEMBL14720876 0.75 FKBP1A (0.38) HRH3SRD5A2POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013027001-A1 COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO claimed
WO-2013027001-A1 COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO disclosed